Glycoside
GD154648
Name:
2Alpha-Hydroxycyclohex-4-En-1Beta-Yl 2-O-[(Z)-Coumaroyl]-Beta-Glucopyrano+Formula:
C21H26O9Smiles:
O=C(C=Cc1ccc(O)cc1)OC1C(OC2CC=CCC2O)OC(CO)C(O)C1OAglycone:
O=C(O)C=Cc1ccc(O)cc1.OC1CC=CCC1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.48 |
| AlogP: | -0.15 | Num_rotatable_bonds: | 6 |
| MolWt: | 422.43 | Num_heavy_atoms: | 30 |
| TPSA: | 145.91 | NumAromaticRings: | 1 |
Unique Aglycone
AD00021
Formula: C9H8O3
Smiles:
O=C(O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 2 |
| MolWt: | 164.16 | Num_heavy_atoms: | 12 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
AD61401
Formula: C6H10O2
Smiles:
OC1CC=CCC1O| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | 0.06 | Num_rotatable_bonds: | 0 |
| MolWt: | 114.14 | Num_heavy_atoms: | 8 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
